2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C12H19N3OS — CID 648883

IUPAC2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCCCCC2)n1
InChIInChI=1S/C12H19N3OS/c1-10-9-17-12(13-10)14-11(16)8-15-6-4-2-3-5-7-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyYLGBLIKUZOLCPT-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.27
Rot. Bonds3

About 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 648883) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID648883
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCCCCC2)n1
InChIInChI=1S/C12H19N3OS/c1-10-9-17-12(13-10)14-11(16)8-15-6-4-2-3-5-7-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyYLGBLIKUZOLCPT-UHFFFAOYSA-N
XLogP2.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Azepan-1-yl-N-(4-methyl-thiazol-2-yl)-acetamide
CID 648882
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 44565686
N-carbamoyl-3-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47073418
2-(4-methylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 66573026
N-(4-methylthiazol-2-yl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798059
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 142538963
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-azepan-1-ylacetamide
CID 50978068
2-(Azepan-1-YL)-N-ethyl-1,3-thiazole-4-carboxamide
CID 53015922
N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 71939012
N-(cyclopropylmethyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 72110966
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
CID 75418835
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 86784120

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 648883) is 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YLGBLIKUZOLCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10-9-17-12(13-10)14-11(16)8-15-6-4-2-3-5-7-15/h9H,2-8H2,1H3,(H,13,14,16).
What are the key properties of 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 648883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).